(4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine

C12H23N — CID 20692169

IUPAC(4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine
SMILESCC1(C)/C=C\CC(C)(C)CC(N)C1
InChIInChI=1S/C12H23N/c1-11(2)6-5-7-12(3,4)9-10(13)8-11/h5-6,10H,7-9,13H2,1-4H3/b6-5-
InChIKeyHPHALJONRACADE-WAYWQWQTSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds

About (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine

(4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine (PubChem CID 20692169) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine.

Molecular Properties

Compound Name(4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine
PubChem CID20692169
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine
SMILESCC1(C)/C=C\CC(C)(C)CC(N)C1
InChIInChI=1S/C12H23N/c1-11(2)6-5-7-12(3,4)9-10(13)8-11/h5-6,10H,7-9,13H2,1-4H3/b6-5-
InChIKeyHPHALJONRACADE-WAYWQWQTSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine?
The IUPAC name of (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine (CID 20692169) is (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine.
What is the SMILES notation for (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine?
The canonical SMILES for (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine is CC1(C)/C=C\CC(C)(C)CC(N)C1.
What is the InChIKey of (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine?
The InChIKey is HPHALJONRACADE-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)6-5-7-12(3,4)9-10(13)8-11/h5-6,10H,7-9,13H2,1-4H3/b6-5-.
What are the key properties of (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine?
(4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3,3,7,7-tetramethylcyclooct-4-en-1-amine is sourced from PubChem (CID 20692169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).